SCHEMBL3080027

SCHEMBL3080027

Oc1cccc(C2(O)CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.57
OPRL1 P41146 1/20 0.52
DRD2 P14416 2/20 0.52
POLB P06746 1/20 0.51
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HBB P68871 1/20 0.45
HSD17B10 Q99714 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5242779 0.88 OPRL1 (0.67) KDM4EKMT2AOPRL1DRD2POLB
SCHEMBL8959960 0.87 KMT2A (0.57) KDM4EKMT2AOPRL1DRD2POLB
Hydrochloric Acid SCHEMBL10750648 0.86 POLB (0.68) KDM4EKMT2AOPRL1DRD2POLB
Hydrochloric Acid SCHEMBL9310932 0.86 KMT2A (0.59) KDM4EKMT2AOPRL1DRD2POLB
SCHEMBL19330808 0.86 KDM4E (0.56) KDM4EKMT2AOPRL1DRD2POLB
Hydrochloric Acid SCHEMBL9310920 0.85 KDM4E (0.58) KDM4EKMT2AOPRL1DRD2POLB
Hydrochloric Acid SCHEMBL9312210 0.85 KDM4E (0.58) KDM4EKMT2AOPRL1DRD2POLB
SCHEMBL2874849 0.83 KDM4E (0.53) KDM4EKMT2AOPRL1POLBCYP2D6
SCHEMBL10954756 0.83 OPRL1 (0.64) KDM4EKMT2AOPRL1DRD2OPRM1
SCHEMBL3081018 0.83 ALDH1A1 (0.60) KDM4EKMT2AOPRL1POLBOPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US disclosed
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP disclosed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 KDM4E 759/4885KMT2A 2029/4885OPRL1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.